ChemSpider 2D Image | Eoxin A4 | C20H30O3

Eoxin A4

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID27471348
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5Z,8Z,10E,12E)-13-[(2S,3S)-3-Pentyl-2-oxiranyl]-5,8,10,12-tridecatetraenoic acid [ACD/IUPAC Name]
(5Z,8Z,10E,12E)-13-[(2S,3S)-3-Pentyl-2-oxiranyl]-5,8,10,12-tridecatetraensäure [German] [ACD/IUPAC Name]
5,8,10,12-Tridecatetraenoic acid, 13-[(2S,3S)-3-pentyloxiranyl]-, (5Z,8Z,10E,12E)- [ACD/Index Name]
Acide (5Z,8Z,10E,12E)-13-[(2S,3S)-3-pentyl-2-oxiranyl]-5,8,10,12-tridécatétraénoïque [French] [ACD/IUPAC Name]
Eoxin A4 [Wiki]
(2α(5Z,8Z,10E,12E),3β)-13-(3-pentyloxiranyl)-5,8,10,12-tridecatetraenoic acid
(5Z,8Z,10E,12E)-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,10,12-tetraenoic acid
14,15-LTA4
14,15-Oxido-5,8,10,12-eicosatetraenoic acid
14S,15S-epoxy-5Z,8Z,10E,12E-eicosatetraenoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:63983 [DBID]
  • Miscellaneous
    • Chemical Class:

      An oxylipin that is the (14<stereo>S</stereo>,15<stereo>S</stereo>)-epoxy derivative of (5<stereo>Z</stereo>,8<stereo>Z</stereo>,10<stereo>E</stereo>,12<stereo>E</stereo>)-icosa-5,8,10,12-tetraenoic a cid. ChEBI CHEBI:63983

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 484.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 82.1±6.0 kJ/mol
Flash Point: 165.1±18.9 °C
Index of Refraction: 1.549
Molar Refractivity: 97.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1020.12
ACD/KOC (pH 5.5): 2895.29
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 16.27
ACD/KOC (pH 7.4): 46.18
Polar Surface Area: 50 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 307.8±3.0 cm3

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